4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde

C15H13N5O — CID 87656285

IUPAC4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde
SMILESNNc1nc(N)nc2ccc(-c3ccc(C=O)cc3)cc12
InChIInChI=1S/C15H13N5O/c16-15-18-13-6-5-11(7-12(13)14(19-15)20-17)10-3-1-9(8-21)2-4-10/h1-8H,17H2,(H3,16,18,19,20)
InChIKeyJHNOXNKMOQGAOO-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.98
Rot. Bonds3

About 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde

4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde (PubChem CID 87656285) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde
PubChem CID87656285
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde
SMILESNNc1nc(N)nc2ccc(-c3ccc(C=O)cc3)cc12
InChIInChI=1S/C15H13N5O/c16-15-18-13-6-5-11(7-12(13)14(19-15)20-17)10-3-1-9(8-21)2-4-10/h1-8H,17H2,(H3,16,18,19,20)
InChIKeyJHNOXNKMOQGAOO-UHFFFAOYSA-N
XLogP1.98
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde?
The IUPAC name of 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde (CID 87656285) is 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde.
What is the SMILES notation for 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde?
The canonical SMILES for 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde is NNc1nc(N)nc2ccc(-c3ccc(C=O)cc3)cc12.
What is the InChIKey of 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde?
The InChIKey is JHNOXNKMOQGAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-15-18-13-6-5-11(7-12(13)14(19-15)20-17)10-3-1-9(8-21)2-4-10/h1-8H,17H2,(H3,16,18,19,20).
What are the key properties of 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde?
4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde has a molecular weight of 279.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde is sourced from PubChem (CID 87656285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).